alpha-(Trifluoromethyl)-1-phenyl-1H-pyrazole-4-methanol - CAS 1275913-48-8
Catalog: |
BB006813 |
Product Name: |
alpha-(Trifluoromethyl)-1-phenyl-1H-pyrazole-4-methanol |
CAS: |
1275913-48-8 |
Synonyms: |
2,2,2-trifluoro-1-(1-phenyl-4-pyrazolyl)ethanol; 2,2,2-trifluoro-1-(1-phenylpyrazol-4-yl)ethanol |
IUPAC Name: | 2,2,2-trifluoro-1-(1-phenylpyrazol-4-yl)ethanol |
Description: | alpha-(Trifluoromethyl)-1-phenyl-1H-pyrazole-4-methanol (CAS# 1275913-48-8) is a useful research chemical. |
Molecular Weight: | 242.20 |
Molecular Formula: | C11H9F3N2O |
Canonical SMILES: | C1=CC=C(C=C1)N2C=C(C=N2)C(C(F)(F)F)O |
InChI: | InChI=1S/C11H9F3N2O/c12-11(13,14)10(17)8-6-15-16(7-8)9-4-2-1-3-5-9/h1-7,10,17H |
InChI Key: | FFYRLQHGYWNWAI-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 254 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 242.06669740 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 242.06669740 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 38 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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